SCHEMBL20089103

SCHEMBL20089103

Nc1nc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
MAPT P10636 6/20 0.72
POLB P06746 4/20 0.72
MAPK1 P28482 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
LMNA P02545 4/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
HPGD P15428 1/20 0.47
MAP4K4 O95819 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2416849 0.98 MAPT (0.69) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL3598727 0.98 MAPT (0.69) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL30574858 0.85 ALDH1A1 (0.54) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL3568875 0.85 SIRT6 (0.56) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL29545794 0.85 MAPT (0.56) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL15971829 0.85 MAPT (0.52) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL939117 0.85 ALDH1A1 (0.54) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL29656802 0.85 SIRT6 (0.56) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL29656880 0.84 MAPT (0.52) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL2416386 0.84 ALDH1A1 (1.00) ALDH1A1MAPTPOLBMAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2018-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF PARP1, PARP8, PARP11 ALDH1A1 316/4885MAPT 2546/4885POLB 249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.